[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C22H28N2O3/c1-4-19-7-5-6-14-23(19)21(25)15-27-22(26)18-10-12-20(13-11-18)24-16(2)8-9-17(24)3/h8-13,19H,4-7,14-15H2,1-3H3/t19-/m0/s1